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N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine

In the title thio­phene-derived Schiff base compound, C(12)H(8)N(2)S(2), the thio­phene ring is slighty rotated from the benzothia­zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol­ecule from the nine-atom mean plane defined by the non-H ato...

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Autores principales: Booysen, Irvin N., Ismail, Muhammed B., Akerman, Matthew P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414944/
https://www.ncbi.nlm.nih.gov/pubmed/22904931
http://dx.doi.org/10.1107/S1600536812030498
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author Booysen, Irvin N.
Ismail, Muhammed B.
Akerman, Matthew P.
author_facet Booysen, Irvin N.
Ismail, Muhammed B.
Akerman, Matthew P.
author_sort Booysen, Irvin N.
collection PubMed
description In the title thio­phene-derived Schiff base compound, C(12)H(8)N(2)S(2), the thio­phene ring is slighty rotated from the benzothia­zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol­ecule from the nine-atom mean plane defined by the non-H atoms of the benzothia­zole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thio­phene ring. In the crystal, weak C—H⋯S hydrogen bonds involving the thio­phene group S atom and the 4-position thio­phene C—H group of a symmetry-related mol­ecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π–π inter­actions; the distance between the thia­zole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).
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spelling pubmed-34149442012-08-17 N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine Booysen, Irvin N. Ismail, Muhammed B. Akerman, Matthew P. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title thio­phene-derived Schiff base compound, C(12)H(8)N(2)S(2), the thio­phene ring is slighty rotated from the benzothia­zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol­ecule from the nine-atom mean plane defined by the non-H atoms of the benzothia­zole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thio­phene ring. In the crystal, weak C—H⋯S hydrogen bonds involving the thio­phene group S atom and the 4-position thio­phene C—H group of a symmetry-related mol­ecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π–π inter­actions; the distance between the thia­zole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3). International Union of Crystallography 2012-07-18 /pmc/articles/PMC3414944/ /pubmed/22904931 http://dx.doi.org/10.1107/S1600536812030498 Text en © Booysen et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Booysen, Irvin N.
Ismail, Muhammed B.
Akerman, Matthew P.
N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title_full N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title_fullStr N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title_full_unstemmed N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title_short N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
title_sort n-[(e)-thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414944/
https://www.ncbi.nlm.nih.gov/pubmed/22904931
http://dx.doi.org/10.1107/S1600536812030498
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